AG000YQJ

1289942-66-0 | Alanine, N-[3-fluoro-4-[(methylamino)carbonyl]phenyl]-2-methyl-

AG000YQJ

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CAS Number	1289942-66-0
Catalog Number	AG000YQJ(AGN-PC-0WANEF)
Chemical Name	Alanine, N-[3-fluoro-4-[(methylamino)carbonyl]phenyl]-2-methyl-
IUPAC Name	2-[3-fluoro-4-(methylcarbamoyl)anilino]-2-methylpropanoic acid
InChI	InChI=1S/C12H15FN2O3/c1-12(2,11(17)18)15-7-4-5-8(9(13)6-7)10(16)14-3/h4-6,15H,1-3H3,(H,14,16)(H,17,18)
InChI Key	IAAHEGARPMZSTJ-UHFFFAOYSA-N
MDL Number	MFCD22581651
Molecular Formula	C12H15FN2O3
Molecular Weight	254.2575
SMILES	CC(C)(NC1=CC=C(C(NC)=O)C(F)=C1)C(O)=O
Synonyms	1289942-66-0, 2-((3-Fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methylpropanoic acid, Enzalutamide ITS-2, N-[3-Fluoro-4-[(MethylaMino)carbonyl]phenyl]-2-Methylalanine, AK158344, 2-(3-Fluoro-4-methylcarbamoyl-phenylamino)-2-methyl-propionic acid, 2-[[3-Fluoro-4-(methylcarbamoyl)phenyl]amino]-2-methylpropanoic Acid, IAAHEGARPMZSTJ-UHFFFAOYSA-N, SCHEMBL1646774, KS-00000SGH, Alanine, N-[3-fluoro-4-[(methylamino)carbonyl]phenyl]-2-methyl-, CS-M2260, 3076AH, MFCD22581651, ZINC85577566, AKOS024262437, AS-10193, PC408012, SY116162, AJ-127840, AX8292153, FT-0696838, ST24038968, MFCD22581651 (95%), 2-(4-(methylcarbamoyl)-3-fluorophenylamino)-2-methylpropanoic acid, Alanine,N-[3-fluoro-4-[(methylamino)carbonyl]phenyl]-2-methyl-, 2-((3-Fluoro-4-(methylcarbamoyl)phenyl)-amino)-2-methylpropanoic acid, 2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methyl propanoic acid, C12H15FN2O3, ACN-054131, N-[3-fluoro-4-[(methylamino)carbonyl]phenyl]-2-methyl-Alanine,

Complexity	333
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	254.107g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	254.261g/mol
Monoisotopic Mass	254.107g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	78.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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